6YM4
Crystal structure of BAY-297 with PIP4K2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.984, 99.260, 104.191 |
| Unit cell angles | 90.00, 93.37, 90.00 |
Refinement procedure
| Resolution | 46.070 - 1.950 |
| R-factor | 0.2011 |
| Rwork | 0.200 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ybx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.826 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.090 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.091 | 0.539 |
| Number of reflections | 64335 | 10323 |
| <I/σ(I)> | 9.26 | |
| Completeness [%] | 98.6 | |
| Redundancy | 2.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 16% PEG 3350, 200mM Magnesium formate, 25% glycerol |
